SCHEMBL24074042

SCHEMBL24074042

CCCCNc1ccc(C(=O)Nc2ncc(N=O)s2)c(OC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MLNR O43193 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADRA2A P08913 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24074052 0.93 MEN1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24072486 0.87 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24072238 0.86 LMNA (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24072349 0.86 F2R (0.39) ALDH1A1SMN1; SMN2ADORA2AF2RPNLIP
SCHEMBL27136866 0.85 PLK1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24073964 0.85 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25063310 0.84 STAT3 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24072300 0.82 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24074000 0.81 F2R (0.41) ALDH1A1TP53F2RPLK1CDK2
SCHEMBL24072333 0.81 F2R (0.42) ALDH1A1MEN1KMT2AF2RPLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 — — WO disclosed
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